# ##################################################################################################
#  Disclaimer                                                                                      #
#  This file is a python3 translation of AutoDockTools (v.1.5.7)                                   #
#  Modifications made by Valdes-Tresanco MS (https://github.com/Valdes-Tresanco-MS)                #
#  Tested by Valdes-Tresanco-MS and Valdes-Tresanco ME                                             #
#  There is no guarantee that it works like the original distribution,                             #
#  but feel free to tell us if you get any difference to correct the code.                         #
#                                                                                                  #
#  Please use this cite the original reference.                                                    #
#  If you think my work helps you, just keep this note intact on your program.                     #
#                                                                                                  #
#  Modification date: 4/7/20 5:48                                                                  #
#                                                                                                  #
# ##################################################################################################

all_amino94_dat = {
    "TYR": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0295, 'type': 'HC'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0295, 'type': 'HC'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', '+M', 'C', 'O'], ['CG', 'CE2', 'CD2', 'HD2'],
                           ['CD2', 'CZ', 'CE2', 'HE2'], ['CD1', 'CZ', 'CE1', 'HE1'], ['CG', 'CE1', 'CD1', 'HD1'],
                           ['CD1', 'CD2', 'CG', 'CB'], ['CE1', 'CE2', 'CZ', 'OH']],
            "INTX,KFORM": ['INT', '1'],
            "HD2": {'torsion': 180.0, 'tree': 'E', 'NC': 16, 'NB': 19, 'NA': 21, 'I': 22, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.1699, 'type': 'HA'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "OH": {'torsion': 180.0, 'tree': 'S', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 120.0, 'blen': 1.36,
                   'charge': -0.5579, 'type': 'OH'},
            "HD1": {'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.1699, 'type': 'HA'},
            "HE1": {'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 15, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.1656, 'type': 'HA'},
            "HE2": {'torsion': 180.0, 'tree': 'E', 'NC': 14, 'NB': 16, 'NA': 19, 'I': 20, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.1656, 'type': 'HA'},
            "CD2": {'torsion': 0.0, 'tree': 'S', 'NC': 14, 'NB': 16, 'NA': 19, 'I': 21, 'angle': 120.0, 'blen': 1.4,
                    'charge': -0.1906, 'type': 'CA'},
            "NAMRES": 'TYROSINE',
            "CD1": {'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 120.0, 'blen': 1.4,
                    'charge': -0.1906, 'type': 'CA'},
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'CD1', 'HD1', 'CE1', 'HE1', 'CZ', 'OH', 'HH',
                           'CE2', 'HE2', 'CD2', 'HD2', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "CE1": {'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 14, 'angle': 120.0, 'blen': 1.4,
                    'charge': -0.2341, 'type': 'CA'},
            "CE2": {'torsion': 0.0, 'tree': 'B', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 19, 'angle': 120.0, 'blen': 1.4,
                    'charge': -0.2341, 'type': 'CA'},
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.0876, 'type': 'H1'},
            "HH": {'torsion': 0.0, 'tree': 'E', 'NC': 14, 'NB': 16, 'NA': 17, 'I': 18, 'angle': 113.0, 'blen': 0.96,
                   'charge': 0.3992, 'type': 'HO'},
            "CZ": {'torsion': 0.0, 'tree': 'B', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 16, 'angle': 120.0, 'blen': 1.4,
                   'charge': 0.3226, 'type': 'C'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.2719, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.4157, 'type': 'N'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 23, 'I': 24, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5679, 'type': 'O'},
            "CG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.51,
                   'charge': -0.0011, 'type': 'CA'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': -0.0014, 'type': 'CT'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.0152, 'type': 'CT'},
            "loopList": [['CG', 'CD2']],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 23, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.5973, 'type': 'C'},
            },
    "ASN": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0797, 'type': 'HC'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0797, 'type': 'HC'},
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'OD1', 'ND2', 'HD21', 'HD22', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "ND2": {'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 116.6, 'blen': 1.335,
                    'charge': -0.9191, 'type': 'N'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 16, 'I': 17, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5679, 'type': 'O'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.2041, 'type': 'CT'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', '+M', 'C', 'O'], ['CB', 'ND2', 'CG', 'OD1'],
                           ['CG', 'HD21', 'ND2', 'HD22']],
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.1048, 'type': 'H1'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.4157, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CG": {'torsion': 180.0, 'tree': 'B', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 111.1, 'blen': 1.522,
                   'charge': 0.713, 'type': 'C'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.0143, 'type': 'CT'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.2719, 'type': 'H'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "HD21": {'torsion': 180.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 13, 'I': 14, 'angle': 119.8, 'blen': 1.01,
                     'charge': 0.4196, 'type': 'H'},
            "OD1": {'torsion': 0.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 120.5, 'blen': 1.229,
                    'charge': -0.5931, 'type': 'O'},
            "HD22": {'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 13, 'I': 15, 'angle': 119.8, 'blen': 1.01,
                     'charge': 0.4196, 'type': 'H'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 16, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.5973, 'type': 'C'},
            "NAMRES": 'ASPARAGINE',
            },
    "ASH": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0488, 'type': 'HC'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0488, 'type': 'HC'},
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'OD1', 'OD2', 'HD2', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 15, 'I': 16, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5679, 'type': 'O'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.0316, 'type': 'CT'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', '+M', 'C', 'O'], ['CB', 'OD1', 'CG', 'OD2']],
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.0864, 'type': 'H1'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.4157, 'type': 'N'},
            "INTX,KFORM": ['INT', '0'],
            "CG": {'torsion': 180.0, 'tree': 'B', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.527,
                   'charge': 0.6462, 'type': 'C'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.0341, 'type': 'CT'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.2719, 'type': 'H'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "OD2": {'torsion': 270.0, 'tree': 'S', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 117.2, 'blen': 1.26,
                    'charge': -0.6376, 'type': 'OH'},
            "OD1": {'torsion': 90.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 117.2, 'blen': 1.26,
                    'charge': -0.5554, 'type': 'O'},
            "HD2": {'torsion': 180.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 13, 'I': 14, 'angle': 109.5, 'blen': 0.96,
                    'charge': 0.4747, 'type': 'HO'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 15, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.5973, 'type': 'C'},
            "NAMRES": 'ASP neutral',
            },
    "LYN": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.034, 'type': 'HC'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.034, 'type': 'HC'},
            "HZ2": {'torsion': 180.0, 'tree': 'E', 'NC': 14, 'NB': 17, 'NA': 20, 'I': 21, 'angle': 109.47, 'blen': 1.01,
                    'charge': 0.38604, 'type': 'H'},
            "HZ3": {'torsion': 300.0, 'tree': 'E', 'NC': 14, 'NB': 17, 'NA': 20, 'I': 22, 'angle': 109.47, 'blen': 1.01,
                    'charge': 0.38604, 'type': 'H'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', '+M', 'C', 'O']],
            "NZ": {'torsion': 180.0, 'tree': 'B', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 20, 'angle': 109.47, 'blen': 1.47,
                   'charge': -1.03581, 'type': 'N3'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 24, 'I': 24, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5679, 'type': 'O'},
            "INTX,KFORM": ['INT', '1'],
            "HG3": {'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.01041, 'type': 'HC'},
            "HG2": {'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.01041, 'type': 'HC'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.4157, 'type': 'N'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "HE3": {'torsion': 60.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 19, 'angle': 109.5, 'blen': 1.09,
                    'charge': -0.03358, 'type': 'HP'},
            "HE2": {'torsion': 300.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 18, 'angle': 109.5, 'blen': 1.09,
                    'charge': -0.03358, 'type': 'HP'},
            "HD2": {'torsion': 300.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 15, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.01155, 'type': 'HC'},
            "HD3": {'torsion': 60.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 16, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.01155, 'type': 'HC'},
            "NAMRES": 'LYSINE neutral',
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'HG2', 'HG3', 'CD', 'HD2', 'HD3', 'CE',
                           'HE2', 'HE3', 'NZ', 'HZ2', 'HZ3', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.0994, 'type': 'H1'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.2719, 'type': 'H'},
            "CD": {'torsion': 180.0, 'tree': '3', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 14, 'angle': 109.47, 'blen': 1.525,
                   'charge': -0.03768, 'type': 'CT'},
            "CE": {'torsion': 180.0, 'tree': '3', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 17, 'angle': 109.47, 'blen': 1.525,
                   'charge': 0.32604, 'type': 'CT'},
            "CG": {'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.525,
                   'charge': 0.06612, 'type': 'CT'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': -0.07206, 'type': 'CT'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.04845, 'type': 'CT'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 23, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.5973, 'type': 'C'},
            },
    "CYS": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.1112, 'type': 'H1'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.1112, 'type': 'H1'},
            "HG": {'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 96.0, 'blen': 1.33,
                   'charge': 0.1933, 'type': 'HS'},
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'SG', 'HG', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "SG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 116.0, 'blen': 1.81,
                   'charge': -0.3119, 'type': 'SH'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 13, 'I': 14, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5679, 'type': 'O'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.1231, 'type': 'CT'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', '+M', 'C', 'O']],
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.1124, 'type': 'H1'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.4157, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.0213, 'type': 'CT'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.2719, 'type': 'H'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 13, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.5973, 'type': 'C'},
            "NAMRES": 'CYSTEINE',
            },
    "ARG": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0327, 'type': 'HC'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0327, 'type': 'HC'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', '+M', 'C', 'O'], ['NE', 'NH1', 'CZ', 'NH2'],
                           ['CD', 'CZ', 'NE', 'HE'], ['CZ', 'HH11', 'NH1', 'HH12'], ['CZ', 'HH21', 'NH2', 'HH22']],
            "HH11": {'torsion': 0.0, 'tree': 'E', 'NC': 17, 'NB': 19, 'NA': 20, 'I': 21, 'angle': 119.8, 'blen': 1.01,
                     'charge': 0.4478, 'type': 'H'},
            "HH12": {'torsion': 180.0, 'tree': 'E', 'NC': 17, 'NB': 19, 'NA': 20, 'I': 22, 'angle': 119.8, 'blen': 1.01,
                     'charge': 0.4478, 'type': 'H'},
            "HH21": {'torsion': 0.0, 'tree': 'E', 'NC': 17, 'NB': 19, 'NA': 23, 'I': 24, 'angle': 119.8, 'blen': 1.01,
                     'charge': 0.4478, 'type': 'H'},
            "HH22": {'torsion': 180.0, 'tree': 'E', 'NC': 17, 'NB': 19, 'NA': 23, 'I': 25, 'angle': 119.8, 'blen': 1.01,
                     'charge': 0.4478, 'type': 'H'},
            "INTX,KFORM": ['INT', '1'],
            "NE": {'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 17, 'angle': 111.0, 'blen': 1.48,
                   'charge': -0.5295, 'type': 'N2'},
            "HG2": {'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0285, 'type': 'HC'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.3479, 'type': 'N'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "HD2": {'torsion': 300.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 15, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0687, 'type': 'H1'},
            "HD3": {'torsion': 60.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 16, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0687, 'type': 'H1'},
            "NAMRES": 'ARGININE',
            "HE": {'torsion': 0.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 18, 'angle': 118.5, 'blen': 1.01,
                   'charge': 0.3456, 'type': 'H'},
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'HG2', 'HG3', 'CD', 'HD2', 'HD3', 'NE', 'HE',
                           'CZ', 'NH1', 'HH11', 'HH12', 'NH2', 'HH21', 'HH22', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "NH2": {'torsion': 180.0, 'tree': 'B', 'NC': 14, 'NB': 17, 'NA': 19, 'I': 23, 'angle': 118.0, 'blen': 1.33,
                    'charge': -0.8627, 'type': 'N2'},
            "HG3": {'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0285, 'type': 'HC'},
            "NH1": {'torsion': 0.0, 'tree': 'B', 'NC': 14, 'NB': 17, 'NA': 19, 'I': 20, 'angle': 122.0, 'blen': 1.33,
                    'charge': -0.8627, 'type': 'N2'},
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.156, 'type': 'H1'},
            "CZ": {'torsion': 180.0, 'tree': 'B', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 19, 'angle': 123.0, 'blen': 1.33,
                   'charge': 0.8076, 'type': 'CA'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.2747, 'type': 'H'},
            "CD": {'torsion': 180.0, 'tree': '3', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 14, 'angle': 109.47, 'blen': 1.525,
                   'charge': 0.0486, 'type': 'CT'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 26, 'I': 27, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5894, 'type': 'O'},
            "CG": {'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.525,
                   'charge': 0.039, 'type': 'CT'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': -0.2637, 'type': 'CT'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.0007, 'type': 'CT'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 26, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.7341, 'type': 'C'},
            },
    "LEU": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0457, 'type': 'HC'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0457, 'type': 'HC'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', '+M', 'C', 'O']],
            "INTX,KFORM": ['INT', '1'],
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "NAMRES": 'LEUCINE',
            "HG": {'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09,
                   'charge': -0.0361, 'type': 'HC'},
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'HG', 'CD1', 'HD11', 'HD12', 'HD13', 'CD2',
                           'HD21', 'HD22', 'HD23', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "HD11": {'torsion': 60.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 13, 'I': 14, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.1, 'type': 'HC'},
            "HD12": {'torsion': 180.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 13, 'I': 15, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.1, 'type': 'HC'},
            "HD13": {'torsion': 300.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 13, 'I': 16, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.1, 'type': 'HC'},
            "CD2": {'torsion': 180.0, 'tree': '3', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 17, 'angle': 109.47, 'blen': 1.525,
                    'charge': -0.4121, 'type': 'CT'},
            "CD1": {'torsion': 60.0, 'tree': '3', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.47, 'blen': 1.525,
                    'charge': -0.4121, 'type': 'CT'},
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.0922, 'type': 'H1'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.2719, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.4157, 'type': 'N'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 21, 'I': 22, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5679, 'type': 'O'},
            "CG": {'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.525,
                   'charge': 0.3531, 'type': 'CT'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': -0.0518, 'type': 'CT'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.1102, 'type': 'CT'},
            "HD21": {'torsion': 60.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 17, 'I': 18, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.1, 'type': 'HC'},
            "HD23": {'torsion': 300.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 17, 'I': 20, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.1, 'type': 'HC'},
            "HD22": {'torsion': 180.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 17, 'I': 19, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.1, 'type': 'HC'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 21, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.5973, 'type': 'C'},
            },
    "HID": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0402, 'type': 'HC'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0402, 'type': 'HC'},
            "NE2": {'torsion': 0.0, 'tree': 'S', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 16, 'angle': 109.0, 'blen': 1.31,
                    'charge': -0.5727, 'type': 'NB'},
            "ND1": {'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 122.0, 'blen': 1.39,
                    'charge': -0.3811, 'type': 'NA'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', '+M', 'C', 'O'], ['CG', 'CE1', 'ND1', 'HD1'],
                           ['CG', 'NE2', 'CD2', 'HD2'], ['ND1', 'NE2', 'CE1', 'HE1'], ['ND1', 'CD2', 'CG', 'CB']],
            "CE1": {'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 14, 'angle': 108.0, 'blen': 1.32,
                    'charge': 0.2057, 'type': 'CR'},
            "INTX,KFORM": ['INT', '1'],
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "HD1": {'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 126.0, 'blen': 1.01,
                    'charge': 0.3649, 'type': 'H'},
            "HD2": {'torsion': 180.0, 'tree': 'E', 'NC': 14, 'NB': 16, 'NA': 17, 'I': 18, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.1147, 'type': 'H4'},
            "HE1": {'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 15, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.1392, 'type': 'H5'},
            "NAMRES": 'HISTIDINE DELTAH',
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'ND1', 'HD1', 'CE1', 'HE1', 'NE2', 'CD2',
                           'HD2', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "CD2": {'torsion': 0.0, 'tree': 'S', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 110.0, 'blen': 1.36,
                    'charge': 0.1292, 'type': 'CV'},
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.0881, 'type': 'H1'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.2719, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.4157, 'type': 'N'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 19, 'I': 20, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5679, 'type': 'O'},
            "CG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 115.0, 'blen': 1.51,
                   'charge': -0.0266, 'type': 'CC'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.0188, 'type': 'CT'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.0462, 'type': 'CT'},
            "loopList": [['CG', 'CD2']],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 19, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.5973, 'type': 'C'},
            },
    "NME": {"HH32": {'torsion': 120.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.0976, 'type': 'H1'},
            "HH33": {'torsion': 240.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.0976, 'type': 'H1'},
            "atNameList": ['N', 'H', 'CH3', 'HH31', 'HH32', 'HH33'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "HH31": {'torsion': 0.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.0976, 'type': 'H1'},
            "impropTors": [['-M', 'CH3', 'N', 'H']],
            "CH3": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                    'charge': -0.149, 'type': 'CT'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.4157, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.2719, 'type': 'H'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CUT": ['0.00000'],
            "NAMRES": 'N-methyl all atom',
            },
    "HIE": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0367, 'type': 'HC'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0367, 'type': 'HC'},
            "NE2": {'torsion': 0.0, 'tree': 'B', 'NC': 11, 'NB': 12, 'NA': 13, 'I': 15, 'angle': 109.0, 'blen': 1.31,
                    'charge': -0.2795, 'type': 'NA'},
            "ND1": {'torsion': 180.0, 'tree': 'S', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 122.0, 'blen': 1.39,
                    'charge': -0.5432, 'type': 'NB'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', '+M', 'C', 'O'], ['CE1', 'CD2', 'NE2', 'HE2'],
                           ['CG', 'NE2', 'CD2', 'HD2'], ['ND1', 'NE2', 'CE1', 'HE1'], ['ND1', 'CD2', 'CG', 'CB']],
            "CE1": {'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 108.0, 'blen': 1.32,
                    'charge': 0.1635, 'type': 'CR'},
            "INTX,KFORM": ['INT', '1'],
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "HE2": {'torsion': 180.0, 'tree': 'E', 'NC': 12, 'NB': 13, 'NA': 15, 'I': 16, 'angle': 125.0, 'blen': 1.01,
                    'charge': 0.3339, 'type': 'H'},
            "HD2": {'torsion': 180.0, 'tree': 'E', 'NC': 13, 'NB': 15, 'NA': 17, 'I': 18, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.1862, 'type': 'H4'},
            "HE1": {'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 13, 'I': 14, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.1435, 'type': 'H5'},
            "NAMRES": 'HISTIDINE EPSILONH',
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'ND1', 'CE1', 'HE1', 'NE2', 'HE2', 'CD2',
                           'HD2', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "CD2": {'torsion': 0.0, 'tree': 'S', 'NC': 12, 'NB': 13, 'NA': 15, 'I': 17, 'angle': 110.0, 'blen': 1.36,
                    'charge': -0.2207, 'type': 'CW'},
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.136, 'type': 'H1'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.2719, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.4157, 'type': 'N'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 19, 'I': 20, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5679, 'type': 'O'},
            "CG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 115.0, 'blen': 1.51,
                   'charge': 0.1868, 'type': 'CC'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': -0.0581, 'type': 'CT'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.0074, 'type': 'CT'},
            "loopList": [['CG', 'CD2']],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 19, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.5973, 'type': 'C'},
            },
    "MET": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0241, 'type': 'HC'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0241, 'type': 'HC'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 19, 'I': 20, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5679, 'type': 'O'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', '+M', 'C', 'O']],
            "SD": {'torsion': 180.0, 'tree': 'S', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 14, 'angle': 110.0, 'blen': 1.81,
                   'charge': -0.2737, 'type': 'S'},
            "INTX,KFORM": ['INT', '1'],
            "HG3": {'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.044, 'type': 'H1'},
            "HG2": {'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.044, 'type': 'H1'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "HE3": {'torsion': 300.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 15, 'I': 18, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0684, 'type': 'H1'},
            "HE2": {'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 15, 'I': 17, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0684, 'type': 'H1'},
            "HE1": {'torsion': 60.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 15, 'I': 16, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0684, 'type': 'H1'},
            "NAMRES": 'METHIONINE',
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'HG2', 'HG3', 'SD', 'CE', 'HE1', 'HE2',
                           'HE3', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.088, 'type': 'H1'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.2719, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.4157, 'type': 'N'},
            "CE": {'torsion': 180.0, 'tree': '3', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 15, 'angle': 100.0, 'blen': 1.78,
                   'charge': -0.0536, 'type': 'CT'},
            "CG": {'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.525,
                   'charge': 0.0018, 'type': 'CT'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': -0.0237, 'type': 'CT'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.0342, 'type': 'CT'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 19, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.5973, 'type': 'C'},
            },
    "IDBGEN,IREST,ITYPF": ['1', '1', '2'],
    "ALA": {"HB2": {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0603, 'type': 'HC'},
            "HB3": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0603, 'type': 'HC'},
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB1', 'HB2', 'HB3', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "HB1": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0603, 'type': 'HC'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 12, 'I': 13, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5679, 'type': 'O'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.1825, 'type': 'CT'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', '+M', 'C', 'O']],
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.0823, 'type': 'H1'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.4157, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.0337, 'type': 'CT'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.2719, 'type': 'H'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 12, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.5973, 'type': 'C'},
            "NAMRES": 'ALANINE',
            },
    "PHE": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0295, 'type': 'HC'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0295, 'type': 'HC'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', '+M', 'C', 'O'], ['CG', 'CE2', 'CD2', 'HD2'],
                           ['CD2', 'CZ', 'CE2', 'HE2'], ['CE1', 'CE2', 'CZ', 'HZ'], ['CD1', 'CZ', 'CE1', 'HE1'],
                           ['CG', 'CE1', 'CD1', 'HD1'], ['CD1', 'CD2', 'CG', 'CB']],
            "INTX,KFORM": ['INT', '1'],
            "HD2": {'torsion': 180.0, 'tree': 'E', 'NC': 16, 'NB': 18, 'NA': 20, 'I': 21, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.133, 'type': 'HA'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "HD1": {'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.133, 'type': 'HA'},
            "HE1": {'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 15, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.143, 'type': 'HA'},
            "HE2": {'torsion': 180.0, 'tree': 'E', 'NC': 14, 'NB': 16, 'NA': 18, 'I': 19, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.143, 'type': 'HA'},
            "CD2": {'torsion': 0.0, 'tree': 'S', 'NC': 14, 'NB': 16, 'NA': 18, 'I': 20, 'angle': 120.0, 'blen': 1.4,
                    'charge': -0.1256, 'type': 'CA'},
            "NAMRES": 'PHENYLALANINE',
            "CD1": {'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 120.0, 'blen': 1.4,
                    'charge': -0.1256, 'type': 'CA'},
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'CD1', 'HD1', 'CE1', 'HE1', 'CZ', 'HZ',
                           'CE2', 'HE2', 'CD2', 'HD2', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "CE1": {'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 14, 'angle': 120.0, 'blen': 1.4,
                    'charge': -0.1704, 'type': 'CA'},
            "CE2": {'torsion': 0.0, 'tree': 'B', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 18, 'angle': 120.0, 'blen': 1.4,
                    'charge': -0.1704, 'type': 'CA'},
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.0978, 'type': 'H1'},
            "CZ": {'torsion': 0.0, 'tree': 'B', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 16, 'angle': 120.0, 'blen': 1.4,
                   'charge': -0.1072, 'type': 'CA'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.2719, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.4157, 'type': 'N'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 22, 'I': 23, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5679, 'type': 'O'},
            "CG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 115.0, 'blen': 1.51,
                   'charge': 0.0118, 'type': 'CA'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': -0.0024, 'type': 'CT'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.0343, 'type': 'CT'},
            "loopList": [['CG', 'CD2']],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 22, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.5973, 'type': 'C'},
            "HZ": {'torsion': 180.0, 'tree': 'E', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 120.0, 'blen': 1.09,
                   'charge': 0.1297, 'type': 'HA'},
            },
    "CYM": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.1122, 'type': 'H1'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.1122, 'type': 'H1'},
            "atNameList": ['N', 'HN', 'CA', 'HA', 'CB', 'HB3', 'HB2', 'SG', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "SG": {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 116.0, 'blen': 1.81,
                   'charge': -0.8844, 'type': 'SH'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 12, 'I': 13, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5679, 'type': 'O'},
            "impropTors": [['-M', 'CA', 'N', 'HN'], ['CA', '+M', 'C', 'O']],
            "HN": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                   'charge': 0.2719, 'type': 'H'},
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.0508, 'type': 'H1'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.4157, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': -0.0351, 'type': 'CT'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.2413, 'type': 'CT'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 12, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.5973, 'type': 'C'},
            "NAMRES": 'CYSTEINE with negative charge',
            },
    "CYX": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.091, 'type': 'H1'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.091, 'type': 'H1'},
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'SG', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "SG": {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 116.0, 'blen': 1.81,
                   'charge': -0.1081, 'type': 'S'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 12, 'I': 13, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5679, 'type': 'O'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.079, 'type': 'CT'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', '+M', 'C', 'O']],
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.0766, 'type': 'H1'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.4157, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.0429, 'type': 'CT'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.2719, 'type': 'H'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 12, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.5973, 'type': 'C'},
            "NAMRES": 'CYSTINE(S-S BRIDGE)',
            },
    "PRO": {"HB2": {'torsion': 256.3, 'tree': 'E', 'NC': 5, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0253, 'type': 'HC'},
            "HB3": {'torsion': 136.3, 'tree': 'E', 'NC': 5, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0253, 'type': 'HC'},
            "atNameList": ['N', 'CD', 'HD2', 'HD3', 'CG', 'HG2', 'HG3', 'CB', 'HB2', 'HB3', 'CA', 'HA', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5748, 'type': 'O'},
            "impropTors": [['CA', '+M', 'C', 'O'], ['-M', 'CD', 'N', 'CA']],
            "HG2": {'torsion': 218.0, 'tree': 'E', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0213, 'type': 'HC'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 117.0, 'blen': 1.337,
                  'charge': -0.2548, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "HG3": {'torsion': 98.0, 'tree': 'E', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0213, 'type': 'HC'},
            "CG": {'torsion': 200.1, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 8, 'angle': 103.2, 'blen': 1.5,
                   'charge': 0.0189, 'type': 'CT'},
            "HA": {'torsion': 60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 14, 'I': 15, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.0641, 'type': 'H1'},
            "CB": {'torsion': 338.3, 'tree': 'B', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 11, 'angle': 106.0, 'blen': 1.51,
                   'charge': -0.007, 'type': 'CT'},
            "CD": {'torsion': 356.1, 'tree': '3', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 126.1, 'blen': 1.458,
                   'charge': 0.0192, 'type': 'CT'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CA": {'torsion': 175.2, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 14, 'angle': 120.6, 'blen': 1.451,
                   'charge': -0.0266, 'type': 'CT'},
            "loopList": [['CB', 'CA']],
            "HD2": {'torsion': 80.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0391, 'type': 'H1'},
            "HD3": {'torsion': 320.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0391, 'type': 'H1'},
            "CUT": ['0.00000'],
            "C": {'torsion': 300.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 14, 'I': 16, 'angle': 109.5, 'blen': 1.522,
                  'charge': 0.5896, 'type': 'C'},
            "NAMRES": 'PROLINE',
            },
    "ACE": {"HH32": {'torsion': 60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.1123, 'type': 'HC'},
            "HH33": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.1123, 'type': 'HC'},
            "atNameList": ['HH31', 'CH3', 'HH32', 'HH33', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 9, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5679, 'type': 'O'},
            "impropTors": [['CH3', '+M', 'C', 'O']],
            "CH3": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 90.0, 'blen': 1.09,
                    'charge': -0.3662, 'type': 'CT'},
            "INTX,KFORM": ['INT', '1'],
            "HH31": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 90.0, 'blen': 1.0,
                     'charge': 0.1123, 'type': 'HC'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'NOMI', 'DU', 'BEG'],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 8, 'angle': 111.1, 'blen': 1.53,
                  'charge': 0.5972, 'type': 'C'},
            "NAMRES": 'ACE BEGINNING GROUP',
            },
    "LYS": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0362, 'type': 'HC'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0362, 'type': 'HC'},
            "HZ2": {'torsion': 180.0, 'tree': 'E', 'NC': 14, 'NB': 17, 'NA': 20, 'I': 22, 'angle': 109.47, 'blen': 1.01,
                    'charge': 0.34, 'type': 'H'},
            "HZ3": {'torsion': 300.0, 'tree': 'E', 'NC': 14, 'NB': 17, 'NA': 20, 'I': 23, 'angle': 109.47, 'blen': 1.01,
                    'charge': 0.34, 'type': 'H'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', '+M', 'C', 'O']],
            "HZ1": {'torsion': 60.0, 'tree': 'E', 'NC': 14, 'NB': 17, 'NA': 20, 'I': 21, 'angle': 109.47, 'blen': 1.01,
                    'charge': 0.34, 'type': 'H'},
            "NZ": {'torsion': 180.0, 'tree': '3', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 20, 'angle': 109.47, 'blen': 1.47,
                   'charge': -0.3854, 'type': 'N3'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 24, 'I': 25, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5894, 'type': 'O'},
            "INTX,KFORM": ['INT', '1'],
            "HG3": {'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0103, 'type': 'HC'},
            "HG2": {'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0103, 'type': 'HC'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.3479, 'type': 'N'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "HE3": {'torsion': 60.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 19, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.1135, 'type': 'HP'},
            "HE2": {'torsion': 300.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 18, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.1135, 'type': 'HP'},
            "HD2": {'torsion': 300.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 15, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0621, 'type': 'HC'},
            "HD3": {'torsion': 60.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 16, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0621, 'type': 'HC'},
            "NAMRES": 'LYSINE',
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'HG2', 'HG3', 'CD', 'HD2', 'HD3', 'CE',
                           'HE2', 'HE3', 'NZ', 'HZ1', 'HZ2', 'HZ3', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.1426, 'type': 'H1'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.2747, 'type': 'H'},
            "CD": {'torsion': 180.0, 'tree': '3', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 14, 'angle': 109.47, 'blen': 1.525,
                   'charge': -0.0479, 'type': 'CT'},
            "CE": {'torsion': 180.0, 'tree': '3', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 17, 'angle': 109.47, 'blen': 1.525,
                   'charge': -0.0143, 'type': 'CT'},
            "CG": {'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.525,
                   'charge': 0.0187, 'type': 'CT'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': -0.24, 'type': 'CT'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.0094, 'type': 'CT'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 24, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.7341, 'type': 'C'},
            },
    "NAMDBF": 'db94.dat',
    "SER": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0352, 'type': 'H1'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0352, 'type': 'H1'},
            "HG": {'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.47, 'blen': 0.96,
                   'charge': 0.4275, 'type': 'HO'},
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'OG', 'HG', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 13, 'I': 14, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5679, 'type': 'O'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.2117, 'type': 'CT'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', '+M', 'C', 'O']],
            "OG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.43,
                   'charge': -0.6546, 'type': 'OH'},
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.0843, 'type': 'H1'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.4157, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': -0.0249, 'type': 'CT'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.2719, 'type': 'H'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 13, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.5973, 'type': 'C'},
            "NAMRES": 'SERINE',
            },
    "ASP": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': -0.0122, 'type': 'HC'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': -0.0122, 'type': 'HC'},
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'OD1', 'OD2', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 14, 'I': 15, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5819, 'type': 'O'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.0303, 'type': 'CT'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', '+M', 'C', 'O'], ['CB', 'OD1', 'CG', 'OD2']],
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.088, 'type': 'H1'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.5163, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CG": {'torsion': 180.0, 'tree': 'B', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.527,
                   'charge': 0.7994, 'type': 'C'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.0381, 'type': 'CT'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.2936, 'type': 'H'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "OD2": {'torsion': 270.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 117.2, 'blen': 1.26,
                    'charge': -0.8014, 'type': 'O2'},
            "OD1": {'torsion': 90.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 117.2, 'blen': 1.26,
                    'charge': -0.8014, 'type': 'O2'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 14, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.5366, 'type': 'C'},
            "NAMRES": 'ASPARTIC ACID',
            },
    "GLN": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0171, 'type': 'HC'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0171, 'type': 'HC'},
            "NE2": {'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 16, 'angle': 116.6, 'blen': 1.335,
                    'charge': -0.9407, 'type': 'N'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', '+M', 'C', 'O'], ['CG', 'NE2', 'CD', 'OE1'],
                           ['CD', 'HE21', 'NE2', 'HE22']],
            "INTX,KFORM": ['INT', '1'],
            "HG3": {'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0352, 'type': 'HC'},
            "HG2": {'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0352, 'type': 'HC'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.4157, 'type': 'N'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': -0.0031, 'type': 'CT'},
            "NAMRES": 'GLUTAMINE',
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'HG2', 'HG3', 'CD', 'OE1', 'NE2', 'HE21',
                           'HE22', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "HE21": {'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 119.8, 'blen': 1.01,
                     'charge': 0.4251, 'type': 'H'},
            "HE22": {'torsion': 0.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 16, 'I': 18, 'angle': 119.8, 'blen': 1.01,
                     'charge': 0.4251, 'type': 'H'},
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.085, 'type': 'H1'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.2719, 'type': 'H'},
            "CD": {'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 14, 'angle': 111.1, 'blen': 1.522,
                   'charge': 0.6951, 'type': 'C'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 19, 'I': 20, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5679, 'type': 'O'},
            "CG": {'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.525,
                   'charge': -0.0645, 'type': 'CT'},
            "OE1": {'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 15, 'angle': 120.5, 'blen': 1.229,
                    'charge': -0.6086, 'type': 'O'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.0036, 'type': 'CT'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 19, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.5973, 'type': 'C'},
            },
    "GLU": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': -0.0173, 'type': 'HC'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': -0.0173, 'type': 'HC'},
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'HG2', 'HG3', 'CD', 'OE1', 'OE2', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', '+M', 'C', 'O'], ['CG', 'OE1', 'CD', 'OE2']],
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 17, 'I': 18, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5819, 'type': 'O'},
            "CD": {'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 14, 'angle': 109.47, 'blen': 1.527,
                   'charge': 0.8054, 'type': 'C'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.056, 'type': 'CT'},
            "HG2": {'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09,
                    'charge': -0.0425, 'type': 'HC'},
            "OE1": {'torsion': 90.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 15, 'angle': 117.2, 'blen': 1.26,
                    'charge': -0.8188, 'type': 'O2'},
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.1105, 'type': 'H1'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.5163, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "HG3": {'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.5, 'blen': 1.09,
                    'charge': -0.0425, 'type': 'HC'},
            "CG": {'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.51,
                   'charge': 0.0136, 'type': 'CT'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.0397, 'type': 'CT'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.2936, 'type': 'H'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 17, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.5366, 'type': 'C'},
            "OE2": {'torsion': 270.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 16, 'angle': 117.2, 'blen': 1.26,
                    'charge': -0.8188, 'type': 'O2'},
            "NAMRES": 'GLUTAMIC ACID',
            },
    "TRP": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0339, 'type': 'HC'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0339, 'type': 'HC'},
            "HZ2": {'torsion': 0.0, 'tree': 'E', 'NC': 14, 'NB': 16, 'NA': 17, 'I': 18, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.1572, 'type': 'HA'},
            "HZ3": {'torsion': 180.0, 'tree': 'E', 'NC': 17, 'NB': 19, 'NA': 21, 'I': 22, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.1447, 'type': 'HA'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', '+M', 'C', 'O'], ['CD1', 'CE2', 'NE1', 'HE1'],
                           ['CE2', 'CH2', 'CZ2', 'HZ2'], ['CZ2', 'CZ3', 'CH2', 'HH2'], ['CH2', 'CE3', 'CZ3', 'HZ3'],
                           ['CZ3', 'CD2', 'CE3', 'HE3'], ['CG', 'NE1', 'CD1', 'HD1'], ['CD1', 'CD2', 'CG', 'CB']],
            "CH2": {'torsion': 180.0, 'tree': 'B', 'NC': 14, 'NB': 16, 'NA': 17, 'I': 19, 'angle': 116.0, 'blen': 1.39,
                    'charge': -0.1134, 'type': 'CA'},
            "CZ3": {'torsion': 0.0, 'tree': 'B', 'NC': 16, 'NB': 17, 'NA': 19, 'I': 21, 'angle': 121.0, 'blen': 1.35,
                    'charge': -0.1972, 'type': 'CA'},
            "NE1": {'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 14, 'angle': 107.0, 'blen': 1.43,
                    'charge': -0.3418, 'type': 'NA'},
            "INTX,KFORM": ['INT', '1'],
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "HE3": {'torsion': 180.0, 'tree': 'E', 'NC': 19, 'NB': 21, 'NA': 23, 'I': 24, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.17, 'type': 'HA'},
            "HD1": {'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.2062, 'type': 'H4'},
            "HE1": {'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 15, 'angle': 125.5, 'blen': 1.01,
                    'charge': 0.3412, 'type': 'H'},
            "NAMRES": 'TRYPTOPHAN',
            "CD1": {'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 127.0, 'blen': 1.34,
                    'charge': -0.1638, 'type': 'CW'},
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'CD1', 'HD1', 'NE1', 'HE1', 'CE2', 'CZ2',
                           'HZ2', 'CH2', 'HH2', 'CZ3', 'HZ3', 'CE3', 'HE3', 'CD2', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "CD2": {'torsion': 0.0, 'tree': 'E', 'NC': 19, 'NB': 21, 'NA': 23, 'I': 25, 'angle': 117.0, 'blen': 1.4,
                    'charge': 0.1243, 'type': 'CB'},
            "CE2": {'torsion': 0.0, 'tree': 'S', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 16, 'angle': 109.0, 'blen': 1.31,
                    'charge': 0.138, 'type': 'CN'},
            "CE3": {'torsion': 0.0, 'tree': 'B', 'NC': 17, 'NB': 19, 'NA': 21, 'I': 23, 'angle': 122.0, 'blen': 1.41,
                    'charge': -0.2387, 'type': 'CA'},
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.1123, 'type': 'H1'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.2719, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.4157, 'type': 'N'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 26, 'I': 27, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5679, 'type': 'O'},
            "CG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 115.0, 'blen': 1.51,
                   'charge': -0.1415, 'type': 'C*'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': -0.0275, 'type': 'CT'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.005, 'type': 'CT'},
            "CZ2": {'torsion': 180.0, 'tree': 'B', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 128.0, 'blen': 1.4,
                    'charge': -0.2601, 'type': 'CA'},
            "loopList": [['CG', 'CD2'], ['CE2', 'CD2']],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 26, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.5973, 'type': 'C'},
            "HH2": {'torsion': 180.0, 'tree': 'E', 'NC': 16, 'NB': 17, 'NA': 19, 'I': 20, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.1417, 'type': 'HA'},
            },
    "CIP": {"INTX,KFORM": ['INT', '1'],
            "atNameList": ['NA+'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.0000', '0.0000', '0.0000', '0.000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.0000', '0.0000', '0.0000', '0.000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.0000', '90.0000', '0.0000', '0.000']],
            "NA+": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 90.0, 'blen': 1.0,
                    'charge': 1.0, 'type': 'IP'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CUT": ['0.000000'],
            "NAMRES": 'Sodium Ion',
            },
    "GLY": {"HA3": {'torsion': 60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0698, 'type': 'H1'},
            "atNameList": ['N', 'H', 'CA', 'HA2', 'HA3', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "HA2": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0698, 'type': 'H1'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 9, 'I': 10, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5679, 'type': 'O'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', '+M', 'C', 'O']],
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.4157, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': -0.0252, 'type': 'CT'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.2719, 'type': 'H'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 9, 'angle': 110.4, 'blen': 1.522,
                  'charge': 0.5973, 'type': 'C'},
            "NAMRES": 'GLYCINE',
            },
    "CIM": {"INTX,KFORM": ['INT', '1'],
            "atNameList": ['CL-'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.0000', '0.0000', '0.0000', '0.000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.0000', '0.0000', '0.0000', '0.000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.0000', '90.0000', '0.0000', '0.000']],
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CUT": ['0.000000'],
            "CL-": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 90.0, 'blen': 1.0,
                    'charge': -1.0, 'type': 'IM'},
            "NAMRES": 'Chloride Ion',
            },
    "HOH": {"INTX,KFORM": ['INT', '1'],
            "atNameList": ['H1', 'O', 'H2'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "O": {'torsion': -39.22, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 104.52, 'blen': 0.9572,
                  'charge': -0.834, 'type': 'OW'},
            "loopList": [['H1', 'H2']],
            "H1": {'torsion': -98.89, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 101.43, 'blen': 1.0,
                   'charge': 0.417, 'type': 'HW'},
            "CUT": ['0.00000'],
            "H2": {'torsion': -151.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 104.52, 'blen': 0.9572,
                   'charge': 0.417, 'type': 'HW'},
            "NAMRES": 'WATER, TIP3P MODEL',
            },
    "THR": {"atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB', 'CG2', 'HG21', 'HG22', 'HG23', 'OG1', 'HG1', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "HG23": {'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 13, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.0642, 'type': 'HC'},
            "HB": {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.0043, 'type': 'H1'},
            "HG22": {'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 12, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.0642, 'type': 'HC'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.3654, 'type': 'CT'},
            "HG1": {'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 14, 'I': 15, 'angle': 109.47, 'blen': 0.96,
                    'charge': 0.4102, 'type': 'HO'},
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.1007, 'type': 'H1'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', '+M', 'C', 'O']],
            "HG21": {'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 11, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.0642, 'type': 'HC'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.4157, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "OG1": {'torsion': 60.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 14, 'angle': 109.47, 'blen': 1.43,
                    'charge': -0.6761, 'type': 'OH'},
            "CG2": {'torsion': 300.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.47, 'blen': 1.525,
                    'charge': -0.2438, 'type': 'CT'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': -0.0389, 'type': 'CT'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.2719, 'type': 'H'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 16, 'I': 17, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5679, 'type': 'O'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 16, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.5973, 'type': 'C'},
            "NAMRES": 'THREONINE',
            },
    "HIP": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.081, 'type': 'HC'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.081, 'type': 'HC'},
            "NE2": {'torsion': 0.0, 'tree': 'B', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 16, 'angle': 109.0, 'blen': 1.31,
                    'charge': -0.1718, 'type': 'NA'},
            "ND1": {'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 122.0, 'blen': 1.39,
                    'charge': -0.1513, 'type': 'NA'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', '+M', 'C', 'O'], ['CG', 'CE1', 'ND1', 'HD1'],
                           ['CE1', 'CD2', 'NE2', 'HE2'], ['CG', 'NE2', 'CD2', 'HD2'], ['ND1', 'NE2', 'CE1', 'HE1'],
                           ['ND1', 'CD2', 'CG', 'CB']],
            "CE1": {'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 14, 'angle': 108.0, 'blen': 1.32,
                    'charge': -0.017, 'type': 'CR'},
            "INTX,KFORM": ['INT', '1'],
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "HD1": {'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 126.0, 'blen': 1.01,
                    'charge': 0.3866, 'type': 'H'},
            "HD2": {'torsion': 180.0, 'tree': 'E', 'NC': 14, 'NB': 16, 'NA': 18, 'I': 19, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.2317, 'type': 'H4'},
            "HE1": {'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 15, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.2681, 'type': 'H5'},
            "HE2": {'torsion': 180.0, 'tree': 'E', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 125.0, 'blen': 1.01,
                    'charge': 0.3911, 'type': 'H'},
            "NAMRES": 'HISTIDINE PLUS',
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'ND1', 'HD1', 'CE1', 'HE1', 'NE2', 'HE2',
                           'CD2', 'HD2', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "CD2": {'torsion': 0.0, 'tree': 'S', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 18, 'angle': 110.0, 'blen': 1.36,
                    'charge': -0.1141, 'type': 'CW'},
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.1212, 'type': 'H1'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.2747, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.3479, 'type': 'N'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 20, 'I': 21, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5894, 'type': 'O'},
            "CG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 115.0, 'blen': 1.51,
                   'charge': -0.0012, 'type': 'CC'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': -0.1354, 'type': 'CT'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.0414, 'type': 'CT'},
            "loopList": [['CG', 'CD2']],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 20, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.7341, 'type': 'C'},
            },
    "VAL": {"HG22": {'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 14, 'I': 16, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.0791, 'type': 'HC'},
            "HG23": {'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 14, 'I': 17, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.0791, 'type': 'HC'},
            "HG21": {'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 14, 'I': 15, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.0791, 'type': 'HC'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', '+M', 'C', 'O']],
            "HG13": {'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 13, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.0791, 'type': 'HC'},
            "HG12": {'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 12, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.0791, 'type': 'HC'},
            "HG11": {'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 11, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.0791, 'type': 'HC'},
            "INTX,KFORM": ['INT', '1'],
            "CG2": {'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 14, 'angle': 109.47, 'blen': 1.525,
                    'charge': -0.3192, 'type': 'CT'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CG1": {'torsion': 60.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.47, 'blen': 1.525,
                    'charge': -0.3192, 'type': 'CT'},
            "NAMRES": 'VALINE',
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB', 'CG1', 'HG11', 'HG12', 'HG13', 'CG2', 'HG21', 'HG22',
                           'HG23', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "HB": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                   'charge': -0.0297, 'type': 'HC'},
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.0969, 'type': 'H1'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.4157, 'type': 'N'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 18, 'I': 19, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5679, 'type': 'O'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.2719, 'type': 'H'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': -0.0875, 'type': 'CT'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.2985, 'type': 'CT'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 18, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.5973, 'type': 'C'},
            },
    "ILE": {"HG22": {'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 12, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.0882, 'type': 'HC'},
            "HG23": {'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 13, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.0882, 'type': 'HC'},
            "HG21": {'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 11, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.0882, 'type': 'HC'},
            "HD13": {'torsion': 300.0, 'tree': 'E', 'NC': 8, 'NB': 14, 'NA': 17, 'I': 20, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.0186, 'type': 'HC'},
            "HG13": {'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 14, 'I': 16, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.0236, 'type': 'HC'},
            "HG12": {'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 14, 'I': 15, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.0236, 'type': 'HC'},
            "INTX,KFORM": ['INT', '1'],
            "CG2": {'torsion': 60.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.47, 'blen': 1.525,
                    'charge': -0.3204, 'type': 'CT'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CG1": {'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 14, 'angle': 109.47, 'blen': 1.525,
                    'charge': -0.043, 'type': 'CT'},
            "NAMRES": 'ISOLEUCINE',
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB', 'CG2', 'HG21', 'HG22', 'HG23', 'CG1', 'HG12', 'HG13',
                           'CD1', 'HD11', 'HD12', 'HD13', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "HD11": {'torsion': 60.0, 'tree': 'E', 'NC': 8, 'NB': 14, 'NA': 17, 'I': 18, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.0186, 'type': 'HC'},
            "HD12": {'torsion': 180.0, 'tree': 'E', 'NC': 8, 'NB': 14, 'NA': 17, 'I': 19, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.0186, 'type': 'HC'},
            "HB": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.0187, 'type': 'HC'},
            "CD1": {'torsion': 180.0, 'tree': '3', 'NC': 6, 'NB': 8, 'NA': 14, 'I': 17, 'angle': 109.47, 'blen': 1.525,
                    'charge': -0.066, 'type': 'CT'},
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.0869, 'type': 'H1'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.4157, 'type': 'N'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 21, 'I': 22, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5679, 'type': 'O'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.2719, 'type': 'H'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': -0.0597, 'type': 'CT'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 109.47, 'blen': 1.525,
                   'charge': 0.1303, 'type': 'CT'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 21, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.5973, 'type': 'C'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', '+M', 'C', 'O']],
            },
    "filename": 'all_amino94.in',
    "GLH": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0256, 'type': 'HC'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0256, 'type': 'HC'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', '+M', 'C', 'O'], ['CG', 'OE1', 'CD', 'OE2']],
            "INTX,KFORM": ['INT', '0'],
            "HG3": {'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.043, 'type': 'HC'},
            "HG2": {'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.043, 'type': 'HC'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.4157, 'type': 'N'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.0145, 'type': 'CT'},
            "HE2": {'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 109.5, 'blen': 0.96,
                    'charge': 0.4641, 'type': 'HO'},
            "OE2": {'torsion': 270.0, 'tree': 'S', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 16, 'angle': 117.2, 'blen': 1.26,
                    'charge': -0.6511, 'type': 'OH'},
            "NAMRES": 'GLU neutral',
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'HG2', 'HG3', 'CD', 'OE1', 'OE2', 'HE2', 'C',
                           'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.0779, 'type': 'H1'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.2719, 'type': 'H'},
            "CD": {'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 14, 'angle': 109.47, 'blen': 1.527,
                   'charge': 0.6801, 'type': 'C'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 18, 'I': 19, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5679, 'type': 'O'},
            "CG": {'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.51,
                   'charge': -0.0174, 'type': 'CT'},
            "OE1": {'torsion': 90.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 15, 'angle': 117.2, 'blen': 1.26,
                    'charge': -0.5838, 'type': 'O'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.0071, 'type': 'CT'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 18, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.5973, 'type': 'C'},
            },
}
